(5Z)-3-[2-(2-chlorophenoxy)ethyl]-5-[[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C28H20ClN3O4S — CID 135968397

IUPAC(5Z)-3-[2-(2-chlorophenoxy)ethyl]-5-[[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2cc(/N=N/c3cccc4ccccc34)ccc2O)C(=O)N1CCOc1ccccc1Cl
InChIInChI=1S/C28H20ClN3O4S/c29-22-9-3-4-11-25(22)36-15-14-32-27(34)26(37-28(32)35)17-19-16-20(12-13-24(19)33)30-31-23-10-5-7-18-6-1-2-8-21(18)23/h1-13,16-17,33H,14-15H2/b26-17-,31-30+
InChIKeyNYFSJMJBIIGISK-XKMUICFYSA-N
MW530.01 g/mol
LogP7.73
Rot. Bonds7

About (5Z)-3-[2-(2-chlorophenoxy)ethyl]-5-[[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-3-[2-(2-chlorophenoxy)ethyl]-5-[[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 135968397) has the molecular formula C28H20ClN3O4S and a molecular weight of 530.01 g/mol. Its IUPAC name is (5Z)-3-[2-(2-chlorophenoxy)ethyl]-5-[[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-[2-(2-chlorophenoxy)ethyl]-5-[[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID135968397
Molecular FormulaC28H20ClN3O4S
Molecular Weight530.01 g/mol
Exact Mass529.09
IUPAC Name(5Z)-3-[2-(2-chlorophenoxy)ethyl]-5-[[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2cc(/N=N/c3cccc4ccccc34)ccc2O)C(=O)N1CCOc1ccccc1Cl
InChIInChI=1S/C28H20ClN3O4S/c29-22-9-3-4-11-25(22)36-15-14-32-27(34)26(37-28(32)35)17-19-16-20(12-13-24(19)33)30-31-23-10-5-7-18-6-1-2-8-21(18)23/h1-13,16-17,33H,14-15H2/b26-17-,31-30+
InChIKeyNYFSJMJBIIGISK-XKMUICFYSA-N
XLogP7.73
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.01
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5Z)-3-[2-(2-chlorophenoxy)ethyl]-5-[[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-3-(2-naphthalen-1-yloxyethyl)-1,3-thiazolidine-2,4-dione
CID 135968446
(5Z)-5-[[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylidene]-3-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazolidine-2,4-dione
CID 135968467
(5Z)-3-[2-(2,5-dimethylphenoxy)ethyl]-5-[[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 135968410
(5Z)-5-[[5-[(3-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-3-[2-(2,5-dimethylphenoxy)ethyl]-1,3-thiazolidine-2,4-dione
CID 135968426
(5Z)-5-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]-3-[2-(3-methylphenoxy)ethyl]-1,3-thiazolidine-2,4-dione
CID 135968369
(5E)-3-benzyl-5-[[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 135635225
(5Z)-3-[2-(2,5-dimethylphenoxy)ethyl]-5-[[5-[(3,4-dimethylphenyl)diazenyl]-2-hydroxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 135968427
(5Z)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
CID 135968353
(5E)-5-[[5-[(2-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 137059845
(5Z)-5-[[5-bromo-1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]methylidene]-3-[2-(4-fluorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione
CID 126155395
(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-[2-(4-fluorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione
CID 126063349
(5Z)-3-butyl-5-[[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126131045

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-[2-(2-chlorophenoxy)ethyl]-5-[[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-[2-(2-chlorophenoxy)ethyl]-5-[[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 135968397) is (5Z)-3-[2-(2-chlorophenoxy)ethyl]-5-[[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-[2-(2-chlorophenoxy)ethyl]-5-[[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-[2-(2-chlorophenoxy)ethyl]-5-[[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1S/C(=C\c2cc(/N=N/c3cccc4ccccc34)ccc2O)C(=O)N1CCOc1ccccc1Cl.
What is the InChIKey of (5Z)-3-[2-(2-chlorophenoxy)ethyl]-5-[[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is NYFSJMJBIIGISK-XKMUICFYSA-N. The full InChI is InChI=1S/C28H20ClN3O4S/c29-22-9-3-4-11-25(22)36-15-14-32-27(34)26(37-28(32)35)17-19-16-20(12-13-24(19)33)30-31-23-10-5-7-18-6-1-2-8-21(18)23/h1-13,16-17,33H,14-15H2/b26-17-,31-30+.
What are the key properties of (5Z)-3-[2-(2-chlorophenoxy)ethyl]-5-[[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-[2-(2-chlorophenoxy)ethyl]-5-[[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 530.01 g/mol, XLogP of 7.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-[2-(2-chlorophenoxy)ethyl]-5-[[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 135968397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).